1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide

C21H25N3O4S — CID 46461883

IUPAC1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)c1C
InChIInChI=1S/C21H25N3O4S/c1-15-18(21(26)22-2)11-6-12-19(15)23-20(25)16-8-7-13-24(14-16)29(27,28)17-9-4-3-5-10-17/h3-6,9-12,16H,7-8,13-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyIMWZTJJPWLKSOK-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.39
Rot. Bonds5

About 1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide

1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 46461883) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID46461883
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)c1C
InChIInChI=1S/C21H25N3O4S/c1-15-18(21(26)22-2)11-6-12-19(15)23-20(25)16-8-7-13-24(14-16)29(27,28)17-9-4-3-5-10-17/h3-6,9-12,16H,7-8,13-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyIMWZTJJPWLKSOK-UHFFFAOYSA-N
XLogP2.39
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-2-methylbenzoate
CID 100659615
1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 45153730
(3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide
CID 1445014
1-(benzenesulfonyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133167756
1-(benzenesulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133167754
(3R)-N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 1081678
1-(benzenesulfonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 46430810
ethyl 3-[[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-2-methylbenzoate
CID 100669500
(3S)-N-(2-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156119
(3R)-N-(3-carbamoyl-2-methylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 95875581
N-(3-acetamido-2-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 24673336
(3R)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156380

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 46461883) is 1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide is CNC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)c1C.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is IMWZTJJPWLKSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-15-18(21(26)22-2)11-6-12-19(15)23-20(25)16-8-7-13-24(14-16)29(27,28)17-9-4-3-5-10-17/h3-6,9-12,16H,7-8,13-14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 46461883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).